Chikusetsusaponin IV
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR307625
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR307625 contains the MS2 mass spectrum of Chikusetsusaponin IV with the InChIkey KQSFNXMDCOFFGW-UHFFFAOYSA-N.
Source: Chikusetsusaponin IV
Chemical Info
| InChI | InChI=1S/C47H74O18/c1-42(2)14-16-47(41(59)65-39-33(55)30(52)28(50)23(19-48)61-39)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-34(56)31(53)35(36(64-40)37(57)58)63-38-32(54)29(51)24(20-49)60-38/h8,22-36,38-40,48-56H,9-20H2,1-7H3,(H,57,58) |
|---|---|
| SMILES | CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C7O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O |
| InChI Key | KQSFNXMDCOFFGW-UHFFFAOYSA-N |
| Molecular Formula | C47H74O18 |
| Exact Mass | 927.091 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | b7c544d7-db83-44fb-bf9c-12ed17e6b199 |
| Package id | msbnk-riken-pr307625 |
| Resource type | HTML |
| State | active |